Package: chents 0.4.2

Johannes Ranke

chents: Chemical Entities as R Objects

When working with data on chemical substances, we often need a reliable link between the data and the chemical identity of the substances. The R package 'chents' provides a way to define an R object corresponding to a chemically defined substances, i.e. a chemical entity and to collect related information. If Python and 'RDKit' (> 2015.03) are installed and configured for use with 'reticulate', some basic chemoinformatics functions like the calculation of molecular weight and plotting of chemical structures in R graphics are available.

Authors:Johannes Ranke [aut, cre, cph]

chents_0.4.2.tar.gz
chents_0.4.2.zip(r-4.7-any)chents_0.4.2.zip(r-4.6-any)chents_0.4.2.zip(r-4.5-any)
chents_0.4.2.tgz(r-4.6-any)chents_0.4.2.tgz(r-4.5-any)
chents_0.4.2.tar.gz(r-4.7-any)chents_0.4.2.tar.gz(r-4.6-any)
chents_0.4.2.tgz(r-4.6-emscripten)
manual.pdf |manual.html✨
DESCRIPTION |NEWS
card.svg |card.png
chents/json (API)

# Install 'chents' in R:
install.packages('chents', repos = c('https://agroscope-ch.r-universe.dev', 'https://cloud.r-project.org'))

Bug tracker:https://github.com/jranke/chents/issues

Pkgdown/docs site:https://pkgdown.jrwb.de

On CRAN:

Conda:

3.43 score 3 stars 1 packages 5 scripts 4 exports 44 dependencies

Last updated from:7c84d4ac9d. Checks:9 OK. Indexed: no.

TargetResultTimeFilesSyslog
linux-develOK205
source / vignettesOK246
linux-releaseOK193
macos-releaseOK155
macos-oldrelOK139
windows-develOK209
windows-releaseOK215
windows-oldrelOK211
wasm-releaseOK129

Exports:chentdraw_svg.chentpaippp

Dependencies:askpassbase64encclicurldata.treedplyrgenericsgluegrImportherehttrjsonlitelatticelifecyclemagrittrMatrixmimeopensslpillarpkgconfigpngpurrrR6rappdirsRcppRcppTOMLreticulaterlangrprojrootrsvgrvestselectrstringistringrsystibbletidyselectutf8vctrswebchemwithrXMLxml2yaml